1-(4-ethylphenyl)ethanone;propanamide

C13H19NO2 — CID 142891370

IUPAC1-(4-ethylphenyl)ethanone;propanamide
SMILESCCC(N)=O.CCc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H12O.C3H7NO/c1-3-9-4-6-10(7-5-9)8(2)11;1-2-3(4)5/h4-7H,3H2,1-2H3;2H2,1H3,(H2,4,5)
InChIKeyCQKVQQHGGUASSC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.33
Rot. Bonds3

About 1-(4-ethylphenyl)ethanone;propanamide

1-(4-ethylphenyl)ethanone;propanamide (PubChem CID 142891370) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)ethanone;propanamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)ethanone;propanamide
PubChem CID142891370
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(4-ethylphenyl)ethanone;propanamide
SMILESCCC(N)=O.CCc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H12O.C3H7NO/c1-3-9-4-6-10(7-5-9)8(2)11;1-2-3(4)5/h4-7H,3H2,1-2H3;2H2,1H3,(H2,4,5)
InChIKeyCQKVQQHGGUASSC-UHFFFAOYSA-N
XLogP2.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
4-(4-ethylphenyl)benzamide
CID 53425878
1-(4-ethylphenyl)-2-methylidenebutan-1-one
CID 139929668
(Z)-but-2-ene;4-ethylbenzamide
CID 143666599
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
4-ethylbenzoyl iodide
CID 89147367
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
N-(4-acetylphenyl)-2-(4-ethylanilino)acetamide
CID 37465418
1-(4-acetylphenyl)ethanone;methane
CID 159515104
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)ethanone;propanamide?
The IUPAC name of 1-(4-ethylphenyl)ethanone;propanamide (CID 142891370) is 1-(4-ethylphenyl)ethanone;propanamide.
What is the SMILES notation for 1-(4-ethylphenyl)ethanone;propanamide?
The canonical SMILES for 1-(4-ethylphenyl)ethanone;propanamide is CCC(N)=O.CCc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)ethanone;propanamide?
The InChIKey is CQKVQQHGGUASSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C3H7NO/c1-3-9-4-6-10(7-5-9)8(2)11;1-2-3(4)5/h4-7H,3H2,1-2H3;2H2,1H3,(H2,4,5).
What are the key properties of 1-(4-ethylphenyl)ethanone;propanamide?
1-(4-ethylphenyl)ethanone;propanamide has a molecular weight of 221.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)ethanone;propanamide is sourced from PubChem (CID 142891370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).